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Name |
Oxyphencyclimine |
EINECS | 204-743-3 |
CAS No. | 125-53-1 | Density | 1.188 g/cm3 |
PSA | 62.13000 | LogP | 2.10520 |
Solubility | N/A | Melting Point |
N/A |
Formula | C20H28N2O3 | Boiling Point | 528.165 °C at 760 mmHg |
Molecular Weight | 344.454 | Flash Point | 273.225 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Cyclohexaneglycolicacid, a-phenyl-, (1,4,5,6-tetrahydro-1-methyl-2-pyrimidinyl)methylester (6CI,7CI,8CI);2-Pyrimidinemethanol, 1,4,5,6-tetrahydro-1-methyl-, a-phenylcyclohexaneglycolate(ester) (8CI);1,4,5,6-Tetrahydro-1-methyl-2-pyrimidinemethanol a-phenylcyclohexaneglycolate (ester);Antulcus;Caridan;Naridan;Zamanil; |
The Oxyphencyclimine, with the CAS registry number 125-53-1, is also known as 1,4,5,6-Tetrahydro-1-methyl-2-pyrimidinemethanol a-phenylcyclohexaneglycolate (ester). Its EINECS number is 204-743-3. This chemical's molecular formula is C20H28N2O3 and molecular weight is 344.45. What's more, its systematic name is (1-Methyl-1,4,5,6-tetrahydro-2-pyrimidinyl)methyl cyclohexyl(hydroxy)phenylacetate. This chemical is an antimuscarinic.
Physical properties of Oxyphencyclimine are: (1)ACD/LogP: 3.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.92; (4)ACD/LogD (pH 7.4): 1.93; (5)ACD/BCF (pH 5.5): 5.61; (6)ACD/BCF (pH 7.4): 5.78; (7)ACD/KOC (pH 5.5): 32.32; (8)ACD/KOC (pH 7.4): 33.29; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 62.13 Å2; (13)Index of Refraction: 1.587; (14)Molar Refractivity: 97.524 cm3; (15)Molar Volume: 290.014 cm3; (16)Polarizability: 38.661×10-24cm3; (17)Surface Tension: 45.7 dyne/cm; (18)Density: 1.188 g/cm3; (19)Flash Point: 273.225 °C; (20)Enthalpy of Vaporization: 84.519 kJ/mol; (21)Boiling Point: 528.165 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC/1=N/CCCN\1C)C(O)(c2ccccc2)C3CCCCC3
(2)Std. InChI: InChI=1S/C20H28N2O3/c1-22-14-8-13-21-18(22)15-25-19(23)20(24,16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2,4-5,9-10,17,24H,3,6-8,11-15H2,1H3
(3)Std. InChIKey: DUDKAZCAISNGQN-UHFFFAOYSA-N